2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum

C58H59N4OPt- — CID 164823625

About 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164823625) has the molecular formula C58H59N4OPt- and a molecular weight of 1023.21 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164823625
• Molecular Formula: C58H59N4OPt-
• Molecular Weight: 1023.21 g/mol
• Exact Mass: 1022.43
• IUPAC Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C58H59N4O.Pt/c1-55(2,3)38-26-28-48(44(32-38)36-19-14-13-15-20-36)62-49-24-18-22-41(52(49)60-54(62)45-33-40(57(7,8)9)34-46(53(45)63)58(10,11)12)37-25-27-43-42-21-16-17-23-47(42)61(50(43)31-37)51-35-39(29-30-59-51)56(4,5)6;/h13-30,32-35,63H,1-12H3;/q-1
• InChIKey: WYZGYPHQUPVENG-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.21
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum (CID 164823625) is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is WYZGYPHQUPVENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H59N4O.Pt/c1-55(2,3)38-26-28-48(44(32-38)36-19-14-13-15-20-36)62-49-24-18-22-41(52(49)60-54(62)45-33-40(57(7,8)9)34-46(53(45)63)58(10,11)12)37-25-27-43-42-21-16-17-23-47(42)61(50(43)31-37)51-35-39(29-30-59-51)56(4,5)6;/h13-30,32-35,63H,1-12H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1023.21 g/mol, XLogP of 15.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164823625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).